4-(4-bromophenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
Chemical Structure Depiction of
4-(4-bromophenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
4-(4-bromophenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one
Compound characteristics
| Compound ID: | 6192-0062 |
| Compound Name: | 4-(4-bromophenyl)-5-hydroxy-7,8-dimethyl-2H-naphtho[2,1-d][1,3]oxathiol-2-one |
| Molecular Weight: | 401.28 |
| Molecular Formula: | C19 H13 Br O3 S |
| Smiles: | Cc1cc2c(c(c3ccc(cc3)[Br])c3c(c2cc1C)OC(=O)S3)O |
| Stereo: | ACHIRAL |
| logP: | 6.4013 |
| logD: | 6.4012 |
| logSw: | -5.7402 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.931 |
| InChI Key: | ARWDSIYWSWPWAZ-UHFFFAOYSA-N |